SCHEMBL22909687

SCHEMBL22909687

CCOC(=O)N1CCc2nn(-c3cc(C)cc(C)c3)c(NC(=O)NCC(OC)OC)c2C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NTRK1 P04629 7/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ C5AR1 P21730 3/20 0.33
▸ AKR1B10 O60218 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21175241 0.91 ALDH1A1 (0.37) MEN1KMT2ANTRK1ALDH1A1
SCHEMBL20014957 0.91 NTRK1 (0.44) MEN1KMT2ANTRK1C5AR1MAPT
SCHEMBL21183751 0.87 NTRK1 (0.39) LMNAPABPC1ATMSMN1; SMN2NTRK1
SCHEMBL20015139 0.82 C5AR1 (0.42) NTRK1C5AR1THRB
SCHEMBL20014985 0.82 C5AR1 (0.42) MEN1KMT2ANTRK1C5AR1MAPT
SCHEMBL21175362 0.82 NTRK1 (0.38) NTRK1ALDH1A1C5AR1
SCHEMBL21175270 0.82 ALDH1A1 (0.36) NTRK1ALDH1A1
SCHEMBL30178379 0.78 NTRK1 (0.43) NTRK1C5AR1THRB
SCHEMBL20015365 0.78 NTRK1 (0.43) NTRK1C5AR1THRB
SCHEMBL21175154 0.78 NTRK1 (0.41) MEN1KMT2ANTRK1ALDH1A1C5AR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210017176-A1 PYRAZOLOPYRIDINE DERIVATIVE HAVING GLP-1 RECEPTOR AGONIST EFFECT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-01-21 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210017176-A1 PYRAZOLOPYRIDINE DERIVATIVE HAVING GLP-1 RECEPTOR AGONIST EFFECT GLP1R, GPR119, GIPR LMNA 4197/4885PABPC1 2517/4885ATM 4280/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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